Dataset

7a_Varian[7a_HEE287_20140203_04.dept.fid]

This dataset contains NMR spectra obtained for the sample -7a_Varian name: 7a_HEE287_20140203_04.13C.fid phc0: 50.8366591413 isFid: true nucleus: 13C solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 100.532776016 spectralWidth: 248.67511861028484 numberOfPoints: 32768 frequencyOffset: 11059.083999995779 originFrequency: 100.5438351 name: 7a_HEE287_20140203_04.1H.fid phc0: -59.3753945658 isFid: true nucleus: 1H solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 399.811874806 spectralWidth: 17.968220802510768 numberOfPoints: 16384 frequencyOffset: 2801.0940000058326 originFrequency: 399.8146759 name: 7a_HEE287_20140203_04.dept.fid phc0: -37.5086956522 isFid: true nucleus: 13C solvent: cdcl3 dimension: 1 isComplex: true temperature: 25 baseFrequency: 100.532776016 spectralWidth: 248.67511861028484 numberOfPoints: 32768 frequencyOffset: 11059.083999995779 originFrequency: 100.5438351

Chemical Information

molecular Image
InChI InChI=1S/C13H22O2/c1-2-3-4-5-6-7-9-12(14)13-10-8-11-15-13/h8,10-12,14H,2-7,9H2,1H3/t12-/m0/s1
SMILES CCCCCCCC[C@H](O)C1=CC=CO1
InChI Key WCDUEUSLTDIZHW-LBPRGKRZSA-N
Molecular Formula C13H22O2
Exact Mass 210.310 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p57.s362.d1904
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D1904
Version
Author Toni Ditfe, Eileen Bette, Haider N. Sultani, Alexander Otto, Ludger A. Wessjohann, Norbert Arnold, Bernhard Westermann
Maintainer
Language english
MetadataPublished 2024-01-19T09:20:10.000000Z
Related Molecule
  • (1S)-1-(furan-2-yl)nonan-1-ol
    • Field Value
    Measurement Technique
    Measurement Variables
    NMR solvent : cdcl3

    acquisition nucleus : ['13C']

    NMR spectrum by dimensionality : 1

    NMR probe :

    Temperature : 25 K

    magnetic field strength : Tesla

    number of scans : scans

    nuclear magnetic resonance pulse sequence :

    Spectral Width : 248.67511861028484

    number of data points : 32768 points

    relaxation time measurement : seconds

    Data-Source Molecule ID Data-Source
    165416634 PubChem
    The data in this table is sourced from UniChem at EBI.